2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C16H13N4O3S- MolecularWeight: 341.36442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C16H14N4O3S/c1-23-13-6-4-12(5-7-13)20-15(11-3-2-8-17-9-11)18-19-16(20)24-10-14(21)22/h2-9H,10H2,1H3,(H,21,22)/p-1